Naslov
Theoretical model for the prediction of the stability of Co2+, Ni2+, Cu2+, Zn2+, and Cd2+ mono-complexes with monocarboxylic acids based on 3χv connectivity index

Autori
Miličević, Ante ; Raos, Nenad

Izvornik
Acta chimica Slovenica (1318-0207) 60 (2013), 1; 120-123

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Stability constants; Transition metals; Carboxylate complexes; Topological indices

Sažetak
The quadratic model for the prediction of stability constants of transition metal (Co2+, Ni2+, Cu2+, Zn2+, and Cd2+) complexes with four monocarboxylic amino acids (methanoic, ethanoic, propanoic, and butanoic) was developed. The model yielded regression coefficient r = 0.996, and standard error S.E. = 0.05 (N = 20). As a test of goodness of the model, we predicted log K1 of three Co2+ complexes (with methanoic, propanoic and butanoic acid) from the training set (N = 17), consisted of the constants of other metal complexes and log K1 of [CoAc]+. The model yielded predictions with the S.E. = 0.08.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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